HRID2335039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID27099

Copper(2+)

Cu+2

HCID521585

Tri(2-furyl)phosphine

C12H9O3P

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID5017639

未命名化合物

2 次

结构：O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1

HCID86633387

未命名化合物

结构：CSc1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(F)(F)C(F)(F)C(F)(F)F)n1

HCID87218737

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(-c2cc(C(F)(F)F)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1

HCID86633386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b0b153301f9406c91dde808bb33b50e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:86]1[O:87][CH2:88][CH2:89][CH2:90]1.[Cu+2:99].[F:1][C:2]([c:3]1[n:4][c:5](-[c:18]2[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]2)[n:6][c:7](-[c:9]2[cH:10][cH:11][c:12]([N+:15]([O-:16])=[O:17])[cH:13][cH:14]2)[cH:8]1)([F:28])[F:29].[F:30][C:31]([F:32])([C:33]([F:34])([F:35])[F:36])[C:37]([F:38])([F:39])[c:40]1[cH:41][c:42](-[c:43]2[cH:44][cH:45][c:46]([N+:47]([O-:48])=[O:49])[cH:50][cH:51]2)[n:52][c:53]([S:54][CH3:55])[n:56]1.[F:57][C:58]([F:59])([F:60])[c:61]1[cH:62][cH:63][c:64]([B:65]([OH:66])[OH:67])[cH:68][cH:69]1.[o:70]1[cH:71][cH:72][cH:73][c:74]1[P:75]([c:76]1[o:77][cH:78][cH:79][cH:80]1)[c:81]1[o:82][cH:83][cH:84][cH:85]1.[s:100]1[cH:101][cH:102][cH:103][c:104]1[C:105]([O-:106])=[O:107].[s:91]1[cH:92][cH:93][cH:94][c:95]1[C:96]([O-:97])=[O:98]>>[F:1][C:2]([c:3]1[n:4][c:5](-[c:18]2[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]2)[n:6][c:7](-[c:9]2[cH:10][cH:11][c:12]([NH2:15])[cH:13][cH:14]2)[cH:8]1)([F:28])[F:29]